Information card for entry 7239441

Structure parameters

• Formula: C18 H14 N4 S7
• Calculated formula: C18 H14 N4 S7
• Title of publication: Electronic tuning effects via cyano substitution of a fused tetrathiafulvalene‒benzothiadiazole dyad for ambipolar transport properties
• Authors of publication: Amacher, Anneliese; Luo, Hewei; Liu, Zitong; Bircher, Martin; Cascella, Michele; Hauser, Jürg; Decurtins, Silvio; Zhang, Deqing; Liu, Shi-Xia
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2873
• a: 5.2159 ± 0.0003 Å
• b: 12.5664 ± 0.0017 Å
• c: 17.7605 ± 0.0019 Å
• α: 71.456 ± 0.011°
• β: 87.369 ± 0.007°
• γ: 78.324 ± 0.008°
• Cell volume: 1080.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No